CID 11298271

332113-79-8

Structural Information

Molecular Formula
C9H8N2S
SMILES
C1=CC(=CC=C1C2=CN=CS2)N
InChI
InChI=1S/C9H8N2S/c10-8-3-1-7(2-4-8)9-5-11-6-12-9/h1-6H,10H2
InChIKey
REVJABCPKIEHFF-UHFFFAOYSA-N
Compound name
4-(1,3-thiazol-5-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

176.04082 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.048096 133.6
[M+Na]+ 199.030038 143.4
[M-H]- 175.033544 139.5
[M+NH4]+ 194.074643 154.6
[M+K]+ 215.003978 139.4
[M+H-H2O]+ 159.038080 127.0
[M+HCOO]- 221.039021 154.6
[M+CH3COO]- 235.054671 147.8
[M+Na-2H]- 197.015486 137.3
[M]+ 176.04027142 133.4
[M]- 176.04136858 133.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe